CID 86114376

4-ethynylbicyclo[2.2.2]octane-1-carboxylic acid

Structural Information

Molecular Formula
C11H14O2
SMILES
C#CC12CCC(CC1)(CC2)C(=O)O
InChI
InChI=1S/C11H14O2/c1-2-10-3-6-11(7-4-10,8-5-10)9(12)13/h1H,3-8H2,(H,12,13)
InChIKey
STYILKNLWBCLDW-UHFFFAOYSA-N
Compound name
4-ethynylbicyclo[2.2.2]octane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.09938 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.10666 147.5
[M+Na]+ 201.08860 156.3
[M+NH4]+ 196.13320 156.3
[M+K]+ 217.06254 143.6
[M-H]- 177.09210 137.5
[M+Na-2H]- 199.07405 145.0
[M]+ 178.09883 145.3
[M]- 178.09993 145.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.